1-Cyano-3-(2-{[(3-Methoxy-2-Pyridinyl)Methyl]Sulfanyl}Ethyl)-2-Methylguanidine

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Properties Simple | Detailed

Formula C12H17N5OS
IUPAC Name 1-cyano-3-[2-[(3-methoxy-2-pyridyl)methylsulfanyl]ethyl]-2-methyl-guanidine
Molecular Mass 279.361 g·mol−1
Heat of Formation 186.6 ± 16.7 kJ·mol−1
Dipole Moment 3.67 ± 1.08 D
Volume 342.55 Å 3
Surface Area 306.21 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • 3-cyano-1-[2-[(3-methoxy-2-pyridyl)methylsulfanyl]ethyl]-2-methyl-guanidine
  • 3-cyano-1-[2-[(3-methoxy-2-pyridyl)methylthio]ethyl]-2-methyl-guanidine
  • 3-cyano-1-[2-[(3-methoxy-2-pyridyl)methylthio]ethyl]-2-methylguanidine
  • 3-cyano-1-[2-[(3-methoxypyridin-2-yl)methylsulfanyl]ethyl]-2-methyl-guanidine
  • guanidine, n-cyano-n'-(2-((3-methoxy-2-pyridinyl)methyl)thioethyl)-n''-methyl-
  • sk&f 92857
  • skf 92857
  • skf-92857
CAS Number(s)
  • 62733-93-1
InChIKey NKONYQMSBKSFMF-UHFFFAOYSA-N
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